N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide

C9H16N2O3S — CID 53016568

IUPACN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C9H16N2O3S/c1-15(13,14)10-8-4-5-11(6-8)9(12)7-2-3-7/h7-8,10H,2-6H2,1H3
InChIKeySQIOKTGOIRKQCC-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.45
Rot. Bonds3

About N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide

N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 53016568) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID53016568
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C9H16N2O3S/c1-15(13,14)10-8-4-5-11(6-8)9(12)7-2-3-7/h7-8,10H,2-6H2,1H3
InChIKeySQIOKTGOIRKQCC-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 53016568) is N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)C2CC2)C1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is SQIOKTGOIRKQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-15(13,14)10-8-4-5-11(6-8)9(12)7-2-3-7/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide?
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 232.30 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 53016568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).